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ChemicalBook--->CAS DataBase List--->2170722-84-4

2170722-84-4

2170722-84-4 Structure

2170722-84-4 Structure
IdentificationBack Directory
[Name]

1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one
[CAS]

2170722-84-4
[Synonyms]

CVL-231
1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one
[Molecular Formula]

C20H21F3N4O
[MDL Number]

MFCD34186088
[MOL File]

2170722-84-4.mol
[Molecular Weight]

390.4
Chemical PropertiesBack Directory
[Boiling point ]

546.7±50.0 °C(Predicted)
[density ]

1.320±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 25 mg/mL (64.04 mM; Need ultrasonic)
[form ]

Solid
[pka]

6.14±0.20(Predicted)
[color ]

Off-white to light yellow
[InChI]

InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3
[InChIKey]

DTCZNKWBDTXEBS-UHFFFAOYSA-N
[SMILES]

C(=O)(N1CC2=C(C)C=C(C)N=C2C1)CC1CN(C2C=CN=C(C(F)(F)F)C=2)C1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H335-H319-H315
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Spectrum DetailBack Directory
[Spectrum Detail]

1-{2,4-dimethyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-y l}-2-{1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl }ethan-1-one(2170722-84-4)1HNMR
Hazard InformationBack Directory
[storage]

Store at -20°C
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